4-(3,4-dimethoxyphenyl)-1-methyl-1-phenacyl-piperidin-1-ium-4-carbonitrile bromide

Systemtic Name: 4-(3,4-dimethoxyphenyl)-1-methyl-1-phenacyl-piperidin-1-ium-4-carbonitrile bromide Openeye Name: 4-(3,4-dimethoxyphenyl)-1-methyl-1-phenacyl-piperidin-1-ium-4-carbonitrile bromide CAS Name: 4-(3,4-dimethoxyphenyl)-1-methyl-1-phenacyl-4-piperidin-1-iumcarbonitrile bromide IUPAC Name: 4-(3,4-dimethoxyphenyl)-1-methyl-1-phenacylpiperidin-1-ium-4-carbonitrile bromide Traditional Name: 4-(3,4-dimethoxyphenyl)-1-methyl-1-phenacyl-piperidin-1-ium-4-carbonitrile bromide Formula: C23H27BrN2O3 MolecularWeight: 459.37608

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)(C#N)C2=CC(=C(C=C2)OC)OC)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H27N2O3.BrH/c1-25(16-20(26)18-7-5-4-6-8-18)13-11-23(17-24,12-14-25)19-9-10-21(27-2)22(15-19)28-3;/h4-10,15H,11-14,16H2,1-3H3;1H/q+1;/p-1